1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one
1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
Compound ID: | S823-4321 |
Compound Name: | 1-[rel-(3R,4S)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one |
Molecular Weight: | 276.38 |
Molecular Formula: | C16 H24 N2 O2 |
Smiles: | Cc1ccccc1CC(N1C[C@H]([C@@H](C1)CO)N(C)C)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.4722 |
logD: | -0.3311 |
logSw: | -1.4189 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 35.618 |
InChI Key: | ZFGYSBRWOMFFGN-LSDHHAIUSA-N |